[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-(3-chlorobenzothiophene-2-carbonyl)piperazino]-(4-ethylphenyl)methanone Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-2-15-7-9-16(10-8-15)21(26)24-11-13-25(14-12-24)22(27)20-19(23)17-5-3-4-6-18(17)28-20/h3-10H,2,11-14H2,1H3